CID 90658462

N-hydroxy-l-dihomomethioninate

Structural Information

Molecular Formula
C7H15NO3S
SMILES
CSCCCC[C@@H](C(=O)O)NO
InChI
InChI=1S/C7H15NO3S/c1-12-5-3-2-4-6(8-11)7(9)10/h6,8,11H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKey
UCJWADAPVIQJLU-LURJTMIESA-N
Compound name
(2S)-2-(hydroxyamino)-6-methylsulfanylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.07727 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08455 143.0
[M+Na]+ 216.06649 147.4
[M-H]- 192.06999 140.1
[M+NH4]+ 211.11109 160.9
[M+K]+ 232.04043 145.4
[M+H-H2O]+ 176.07453 137.4
[M+HCOO]- 238.07547 157.6
[M+CH3COO]- 252.09112 180.5
[M+Na-2H]- 214.05194 143.1
[M]+ 193.07672 144.3
[M]- 193.07782 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.